1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one

C15H19NO2 — CID 82479056

IUPAC1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
SMILESCCC(=O)CCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H19NO2/c1-3-13(17)7-4-11-5-8-14-12(10-11)6-9-15(18)16(14)2/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyFQHMUNFQTDXCSS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.51
Rot. Bonds4

About 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one

1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one (PubChem CID 82479056) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
PubChem CID82479056
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
SMILESCCC(=O)CCc1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H19NO2/c1-3-13(17)7-4-11-5-8-14-12(10-11)6-9-15(18)16(14)2/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyFQHMUNFQTDXCSS-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106687
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one (CID 82479056) is 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one is CCC(=O)CCc1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one?
The InChIKey is FQHMUNFQTDXCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-13(17)7-4-11-5-8-14-12(10-11)6-9-15(18)16(14)2/h5,8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82479056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).